SCHEMBL11264247

SCHEMBL11264247

CC1CCSC(CCCc2ccc(Br)cc2)(Cn2ccnc2)S1

nearest known ligand 0.52

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMOX1 P09601 5/20 0.49
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL11260471 0.94 HMOX1 (0.54) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11255366 0.91 HMOX1 (0.41) HMOX1
SCHEMBL11272679 0.90 HMOX1 (0.52) HMOX1
SCHEMBL11270291 0.90 HMOX1 (0.51) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11257720 0.90 HMOX1 (0.39) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11252108 0.87 CYP19A1 (0.45) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11257946 0.87 HMOX1 (0.41) HMOX1
SCHEMBL11270114 0.85 HMOX1 (0.55) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11253922 0.84 HMOX1 (0.44) HMOX1CYP19A1CYP11B1CYP11B2
SCHEMBL11266945 0.84 HMOX1 (0.44) HMOX1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4359475-A SPERMICIDES, MICROBIOCIDES OR ANTICONVULSANTS SYNTEX (U.S.A.) INC. (US) 1982-11-16 US disclosed